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化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
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Diethyl thiophosphate

HCID 3683036
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

標準SMILES
CCOP([O-])(=S)OCC
InChIKey
PKUWKAXTAVNIJR-UHFFFAOYSA-M
分子式
C4H10O3PS-
平均分子量
169.16 g/mol
単同位体質量
169.00937539

概要

O,O-diethyl thiophosphate is an organic phosphorothioate anion that is the conjugate base of O,O-diethyl hydrogen thiophosphate, resulting from the deprotonation of the thiophosphate group. Major species at pH 7.3. It is a conjugate base of an O,O-diethyl hydrogen thiophosphate.

名称と識別子

優先名称
Diethyl thiophosphate
IUPAC
diethoxy-oxido-sulfanylidene-λ5-phosphane

名称と別名

diethyl thiophosphateRefChem:920160diethylthiophosphateDETPdiethoxy-oxido-sulfanylidene-lambda5-phosphaneO,O-Diethyl thiophosphatediethylphosphorothioate(diethyl)thiophosphateDETP(1-)CHEBI:156216PKUWKAXTAVNIJR-UHFFFAOYSA-MDTXSID401352369
名称をさらに表示
STK372948AKOS005447225

データベース識別子

PubChem CID
3683036
DTXSID
DTXSID401352369
ChEBI
CHEBI:156216

物性

構造計算による物性

XLogP
1.4
極性表面積
73.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
4
重原子数
9
形式電荷
-1
複雑度
106

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Regulatory InformationHazard Traits - Developmental Toxicity; Neurotoxicity

毒性情報

Toxicity Summary · 1 件

Diethylthiophosphate (DETP) induces DNA damage only in the hepatic cell lines, and this effect could be related to a secondary non-diffusible metabolite generated by the activity of P450 enzymes since P450 enzyme inhibitors also inhibited the induction of DNA damage in hepatic cells. This organophosphorous (OP) metabolite has shown some toxicity in human peripheral blood mononucleated cells (PBMC). DETP is a cytotoxic compound in human PBMC. A relationship between urinary levels of DETP and the number of sperm susceptible to chromatin alteration has been reported among rural agricultural workers. In addition, a correlation between the frequency of aneuploidy in sperm and the levels of DETP in urine was identified in a rural population exposed to OP pesticides, indicating that the potential for genotoxicity following OP exposure may depend on the type and quantity of specific metabolites produced, such as DETP. (A15411)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

用途と製造

UsesThis is a natural compound that is used as a pesticide.

関連反応

4 件
反応記録を作成
HRID 611798 の反応式
HRID 611798生成物としてuspto-grants-1999_12
HRID 816068 の反応式
HRID 816068生成物としてTest data from https://doi.org/10.1039/C8SC04228D
HRID 935103 の反応式
HRID 935103反応物としてValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1816183 の反応式
HRID 1816183反応物としてuspto-grants-2005_04

化合物ノート

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